USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 257 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.27) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.65 K(o=-1.6,f=-4.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.664 F(o=-2.2!,f=-0.66) USER MOD Single : A 21 SER OG : rot 180:sc= -2.69! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA PHE A 1 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C PHE A 1 3.219 -1.013 -1.197 1.00 32.21 C ATOM 4 O PHE A 1 3.326 -1.790 -0.249 1.00 13.41 O ATOM 5 CB PHE A 1 2.657 1.404 -1.417 1.00 31.14 C ATOM 6 CG PHE A 1 2.152 2.140 -2.659 1.00 40.41 C ATOM 7 CD1 PHE A 1 1.882 1.447 -3.798 1.00 1.44 C ATOM 8 CD2 PHE A 1 1.973 3.488 -2.625 1.00 1.23 C ATOM 9 CE1 PHE A 1 1.413 2.131 -4.951 1.00 25.03 C ATOM 10 CE2 PHE A 1 1.505 4.172 -3.778 1.00 35.23 C ATOM 11 CZ PHE A 1 1.235 3.479 -4.916 1.00 75.24 C ATOM 0 H1 PHE A 1 0.554 0.695 -0.058 1.00 11.00 H new ATOM 0 H2 PHE A 1 0.927 -0.946 0.166 1.00 11.00 H new ATOM 0 H3 PHE A 1 1.959 0.251 0.785 1.00 11.00 H new ATOM 0 HA PHE A 1 1.418 -0.272 -2.073 1.00 3.05 H new ATOM 0 HB2 PHE A 1 2.418 1.996 -0.534 1.00 31.14 H new ATOM 0 HB3 PHE A 1 3.743 1.331 -1.467 1.00 31.14 H new ATOM 0 HD1 PHE A 1 2.024 0.377 -3.826 1.00 1.44 H new ATOM 0 HD2 PHE A 1 2.187 4.038 -1.721 1.00 1.23 H new ATOM 0 HE1 PHE A 1 1.198 1.581 -5.855 1.00 25.03 H new ATOM 0 HE2 PHE A 1 1.364 5.242 -3.751 1.00 35.23 H new ATOM 0 HZ PHE A 1 0.879 3.999 -5.793 1.00 75.24 H new ATOM 21 N ASN A 2 4.046 -0.973 -2.231 1.00 4.32 N ATOM 22 CA ASN A 2 5.180 -1.878 -2.318 1.00 11.41 C ATOM 23 C ASN A 2 6.379 -1.131 -2.906 1.00 10.12 C ATOM 24 O ASN A 2 7.367 -0.892 -2.213 1.00 32.23 O ATOM 25 CB ASN A 2 4.868 -3.065 -3.231 1.00 41.44 C ATOM 26 CG ASN A 2 3.366 -3.355 -3.260 1.00 1.21 C ATOM 27 OD1 ASN A 2 2.849 -4.160 -2.504 1.00 32.25 O ATOM 28 ND2 ASN A 2 2.697 -2.656 -4.172 1.00 43.34 N ATOM 0 H ASN A 2 3.954 -0.328 -3.016 1.00 4.32 H new ATOM 0 HA ASN A 2 5.399 -2.243 -1.314 1.00 11.41 H new ATOM 0 HB2 ASN A 2 5.221 -2.854 -4.241 1.00 41.44 H new ATOM 0 HB3 ASN A 2 5.406 -3.947 -2.883 1.00 41.44 H new ATOM 0 HD21 ASN A 2 1.689 -2.778 -4.270 1.00 43.34 H new ATOM 0 HD22 ASN A 2 3.192 -1.998 -4.774 1.00 43.34 H new ATOM 35 N ARG A 3 6.253 -0.783 -4.178 1.00 10.21 N ATOM 36 CA ARG A 3 7.314 -0.068 -4.867 1.00 21.02 C ATOM 37 C ARG A 3 7.494 1.326 -4.263 1.00 55.43 C ATOM 38 O ARG A 3 8.602 1.858 -4.239 1.00 5.11 O ATOM 39 CB ARG A 3 7.009 0.066 -6.360 1.00 73.51 C ATOM 40 CG ARG A 3 5.548 0.459 -6.588 1.00 11.51 C ATOM 41 CD ARG A 3 4.766 -0.686 -7.234 1.00 53.44 C ATOM 42 NE ARG A 3 5.521 -1.227 -8.386 1.00 71.51 N ATOM 43 CZ ARG A 3 5.113 -2.276 -9.133 1.00 4.14 C ATOM 44 NH1 ARG A 3 3.952 -2.905 -8.854 1.00 20.21 N ATOM 45 NH2 ARG A 3 5.868 -2.676 -10.139 1.00 74.52 N ATOM 0 H ARG A 3 5.432 -0.983 -4.750 1.00 10.21 H new ATOM 0 HA ARG A 3 8.233 -0.642 -4.746 1.00 21.02 H new ATOM 0 HB2 ARG A 3 7.664 0.816 -6.803 1.00 73.51 H new ATOM 0 HB3 ARG A 3 7.218 -0.878 -6.864 1.00 73.51 H new ATOM 0 HG2 ARG A 3 5.087 0.728 -5.637 1.00 11.51 H new ATOM 0 HG3 ARG A 3 5.501 1.342 -7.226 1.00 11.51 H new ATOM 0 HD2 ARG A 3 4.588 -1.474 -6.502 1.00 53.44 H new ATOM 0 HD3 ARG A 3 3.790 -0.330 -7.563 1.00 53.44 H new ATOM 0 HE ARG A 3 6.404 -0.780 -8.631 1.00 71.51 H new ATOM 0 HH11 ARG A 3 3.375 -2.589 -8.074 1.00 20.21 H new ATOM 0 HH12 ARG A 3 3.651 -3.696 -9.423 1.00 20.21 H new ATOM 0 HH21 ARG A 3 6.744 -2.195 -10.342 1.00 74.52 H new ATOM 0 HH22 ARG A 3 5.575 -3.466 -10.713 1.00 74.52 H new ATOM 58 N GLY A 4 6.386 1.879 -3.791 1.00 71.00 N ATOM 59 CA GLY A 4 6.407 3.201 -3.189 1.00 50.42 C ATOM 60 C GLY A 4 5.992 4.271 -4.201 1.00 50.23 C ATOM 61 O GLY A 4 5.322 5.240 -3.847 1.00 32.34 O ATOM 0 H GLY A 4 5.468 1.435 -3.813 1.00 71.00 H new ATOM 0 HA2 GLY A 4 5.734 3.225 -2.332 1.00 50.42 H new ATOM 0 HA3 GLY A 4 7.407 3.418 -2.814 1.00 50.42 H new ATOM 65 N GLY A 5 6.407 4.060 -5.442 1.00 24.25 N ATOM 66 CA GLY A 5 6.087 4.994 -6.507 1.00 62.15 C ATOM 67 C GLY A 5 7.339 5.735 -6.982 1.00 21.32 C ATOM 68 O GLY A 5 7.400 6.190 -8.123 1.00 25.21 O ATOM 0 H GLY A 5 6.962 3.255 -5.733 1.00 24.25 H new ATOM 0 HA2 GLY A 5 5.638 4.458 -7.343 1.00 62.15 H new ATOM 0 HA3 GLY A 5 5.347 5.712 -6.155 1.00 62.15 H new ATOM 72 N TYR A 6 8.306 5.833 -6.082 1.00 25.32 N ATOM 73 CA TYR A 6 9.553 6.510 -6.394 1.00 43.50 C ATOM 74 C TYR A 6 10.511 5.580 -7.141 1.00 40.11 C ATOM 75 O TYR A 6 11.679 5.913 -7.337 1.00 53.15 O ATOM 76 CB TYR A 6 10.175 6.890 -5.049 1.00 24.33 C ATOM 77 CG TYR A 6 10.955 5.755 -4.382 1.00 24.11 C ATOM 78 CD1 TYR A 6 10.591 4.443 -4.606 1.00 24.31 C ATOM 79 CD2 TYR A 6 12.023 6.043 -3.556 1.00 42.53 C ATOM 80 CE1 TYR A 6 11.326 3.375 -3.978 1.00 74.43 C ATOM 81 CE2 TYR A 6 12.757 4.975 -2.929 1.00 3.53 C ATOM 82 CZ TYR A 6 12.372 3.694 -3.171 1.00 23.34 C ATOM 83 OH TYR A 6 13.066 2.685 -2.578 1.00 14.01 O ATOM 0 H TYR A 6 8.251 5.455 -5.136 1.00 25.32 H new ATOM 0 HA TYR A 6 9.370 7.376 -7.030 1.00 43.50 H new ATOM 0 HB2 TYR A 6 10.843 7.739 -5.196 1.00 24.33 H new ATOM 0 HB3 TYR A 6 9.384 7.219 -4.375 1.00 24.33 H new ATOM 0 HD1 TYR A 6 9.755 4.217 -5.252 1.00 24.31 H new ATOM 0 HD2 TYR A 6 12.308 7.070 -3.380 1.00 42.53 H new ATOM 0 HE1 TYR A 6 11.052 2.344 -4.145 1.00 74.43 H new ATOM 0 HE2 TYR A 6 13.595 5.187 -2.281 1.00 3.53 H new ATOM 0 HH TYR A 6 13.787 3.061 -2.031 1.00 14.01 H new ATOM 93 N ASN A 7 9.981 4.432 -7.538 1.00 2.25 N ATOM 94 CA ASN A 7 10.774 3.451 -8.259 1.00 4.43 C ATOM 95 C ASN A 7 11.288 4.074 -9.559 1.00 23.44 C ATOM 96 O ASN A 7 11.073 5.258 -9.812 1.00 23.05 O ATOM 97 CB ASN A 7 9.936 2.224 -8.621 1.00 40.12 C ATOM 98 CG ASN A 7 8.535 2.633 -9.079 1.00 52.15 C ATOM 99 OD1 ASN A 7 8.255 3.789 -9.351 1.00 11.34 O ATOM 100 ND2 ASN A 7 7.673 1.623 -9.151 1.00 15.14 N ATOM 0 H ASN A 7 9.012 4.160 -7.374 1.00 2.25 H new ATOM 0 HA ASN A 7 11.600 3.146 -7.616 1.00 4.43 H new ATOM 0 HB2 ASN A 7 10.431 1.661 -9.412 1.00 40.12 H new ATOM 0 HB3 ASN A 7 9.862 1.562 -7.758 1.00 40.12 H new ATOM 0 HD21 ASN A 7 6.712 1.793 -9.448 1.00 15.14 H new ATOM 0 HD22 ASN A 7 7.973 0.679 -8.909 1.00 15.14 H new ATOM 107 N PHE A 8 11.958 3.247 -10.349 1.00 14.03 N ATOM 108 CA PHE A 8 12.504 3.701 -11.616 1.00 51.32 C ATOM 109 C PHE A 8 12.994 2.521 -12.457 1.00 21.53 C ATOM 110 O PHE A 8 13.981 2.637 -13.181 1.00 42.23 O ATOM 111 CB PHE A 8 13.692 4.609 -11.292 1.00 31.05 C ATOM 112 CG PHE A 8 14.440 4.221 -10.015 1.00 4.44 C ATOM 113 CD1 PHE A 8 14.597 2.910 -9.690 1.00 3.02 C ATOM 114 CD2 PHE A 8 14.949 5.188 -9.204 1.00 53.13 C ATOM 115 CE1 PHE A 8 15.292 2.550 -8.505 1.00 12.43 C ATOM 116 CE2 PHE A 8 15.643 4.828 -8.019 1.00 43.41 C ATOM 117 CZ PHE A 8 15.800 3.517 -7.694 1.00 41.13 C ATOM 0 H PHE A 8 12.135 2.265 -10.136 1.00 14.03 H new ATOM 0 HA PHE A 8 11.736 4.224 -12.185 1.00 51.32 H new ATOM 0 HB2 PHE A 8 14.389 4.591 -12.129 1.00 31.05 H new ATOM 0 HB3 PHE A 8 13.337 5.635 -11.196 1.00 31.05 H new ATOM 0 HD1 PHE A 8 14.193 2.142 -10.333 1.00 3.02 H new ATOM 0 HD2 PHE A 8 14.825 6.229 -9.462 1.00 53.13 H new ATOM 0 HE1 PHE A 8 15.417 1.509 -8.248 1.00 12.43 H new ATOM 0 HE2 PHE A 8 16.046 5.596 -7.375 1.00 43.41 H new ATOM 0 HZ PHE A 8 16.328 3.243 -6.792 1.00 41.13 H new ATOM 127 N GLY A 9 12.282 1.410 -12.332 1.00 12.41 N ATOM 128 CA GLY A 9 12.632 0.209 -13.071 1.00 51.41 C ATOM 129 C GLY A 9 11.387 -0.623 -13.386 1.00 24.23 C ATOM 130 O GLY A 9 11.133 -0.952 -14.543 1.00 55.13 O ATOM 0 H GLY A 9 11.464 1.317 -11.730 1.00 12.41 H new ATOM 0 HA2 GLY A 9 13.136 0.482 -13.998 1.00 51.41 H new ATOM 0 HA3 GLY A 9 13.335 -0.388 -12.490 1.00 51.41 H new ATOM 134 N LYS A 10 10.646 -0.940 -12.335 1.00 35.31 N ATOM 135 CA LYS A 10 9.434 -1.728 -12.485 1.00 31.35 C ATOM 136 C LYS A 10 8.404 -0.926 -13.283 1.00 2.15 C ATOM 137 O LYS A 10 7.905 -1.393 -14.305 1.00 33.12 O ATOM 138 CB LYS A 10 8.926 -2.195 -11.119 1.00 12.53 C ATOM 139 CG LYS A 10 10.089 -2.446 -10.158 1.00 24.14 C ATOM 140 CD LYS A 10 10.145 -1.370 -9.071 1.00 65.31 C ATOM 141 CE LYS A 10 11.565 -0.822 -8.915 1.00 24.20 C ATOM 142 NZ LYS A 10 12.332 -1.638 -7.946 1.00 50.54 N ATOM 0 H LYS A 10 10.861 -0.666 -11.376 1.00 35.31 H new ATOM 0 HA LYS A 10 9.638 -2.637 -13.051 1.00 31.35 H new ATOM 0 HB2 LYS A 10 8.258 -1.443 -10.699 1.00 12.53 H new ATOM 0 HB3 LYS A 10 8.343 -3.109 -11.237 1.00 12.53 H new ATOM 0 HG2 LYS A 10 9.979 -3.428 -9.697 1.00 24.14 H new ATOM 0 HG3 LYS A 10 11.027 -2.457 -10.712 1.00 24.14 H new ATOM 0 HD2 LYS A 10 9.463 -0.558 -9.323 1.00 65.31 H new ATOM 0 HD3 LYS A 10 9.806 -1.788 -8.123 1.00 65.31 H new ATOM 0 HE2 LYS A 10 12.070 -0.824 -9.881 1.00 24.20 H new ATOM 0 HE3 LYS A 10 11.526 0.214 -8.577 1.00 24.20 H new ATOM 0 HZ1 LYS A 10 13.293 -1.253 -7.852 1.00 50.54 H new ATOM 0 HZ2 LYS A 10 11.858 -1.615 -7.021 1.00 50.54 H new ATOM 0 HZ3 LYS A 10 12.384 -2.620 -8.284 1.00 50.54 H new ATOM 155 N SER A 11 8.117 0.268 -12.785 1.00 43.22 N ATOM 156 CA SER A 11 7.156 1.140 -13.439 1.00 62.00 C ATOM 157 C SER A 11 7.539 1.332 -14.908 1.00 13.31 C ATOM 158 O SER A 11 6.669 1.476 -15.766 1.00 1.21 O ATOM 159 CB SER A 11 7.070 2.494 -12.731 1.00 61.34 C ATOM 160 OG SER A 11 5.745 3.018 -12.741 1.00 41.14 O ATOM 0 H SER A 11 8.533 0.652 -11.936 1.00 43.22 H new ATOM 0 HA SER A 11 6.174 0.669 -13.385 1.00 62.00 H new ATOM 0 HB2 SER A 11 7.410 2.387 -11.701 1.00 61.34 H new ATOM 0 HB3 SER A 11 7.743 3.201 -13.217 1.00 61.34 H new ATOM 0 HG SER A 11 5.731 3.882 -12.278 1.00 41.14 H new ATOM 166 N VAL A 12 8.841 1.328 -15.152 1.00 52.54 N ATOM 167 CA VAL A 12 9.349 1.501 -16.503 1.00 23.33 C ATOM 168 C VAL A 12 8.871 0.338 -17.375 1.00 42.32 C ATOM 169 O VAL A 12 8.613 0.515 -18.565 1.00 3.53 O ATOM 170 CB VAL A 12 10.873 1.640 -16.474 1.00 73.25 C ATOM 171 CG1 VAL A 12 11.487 1.208 -17.807 1.00 44.13 C ATOM 172 CG2 VAL A 12 11.286 3.069 -16.117 1.00 22.20 C ATOM 0 H VAL A 12 9.559 1.208 -14.438 1.00 52.54 H new ATOM 0 HA VAL A 12 8.960 2.419 -16.944 1.00 23.33 H new ATOM 0 HB VAL A 12 11.256 0.977 -15.698 1.00 73.25 H new ATOM 0 HG11 VAL A 12 12.571 1.316 -17.761 1.00 44.13 H new ATOM 0 HG12 VAL A 12 11.234 0.166 -18.003 1.00 44.13 H new ATOM 0 HG13 VAL A 12 11.094 1.834 -18.608 1.00 44.13 H new ATOM 0 HG21 VAL A 12 12.374 3.141 -16.103 1.00 22.20 H new ATOM 0 HG22 VAL A 12 10.886 3.760 -16.860 1.00 22.20 H new ATOM 0 HG23 VAL A 12 10.893 3.326 -15.133 1.00 22.20 H new ATOM 182 N ARG A 13 8.767 -0.825 -16.750 1.00 23.20 N ATOM 183 CA ARG A 13 8.325 -2.016 -17.455 1.00 33.55 C ATOM 184 C ARG A 13 6.851 -1.886 -17.845 1.00 1.41 C ATOM 185 O ARG A 13 6.437 -2.380 -18.892 1.00 55.32 O ATOM 186 CB ARG A 13 8.507 -3.267 -16.592 1.00 5.55 C ATOM 187 CG ARG A 13 9.946 -3.375 -16.081 1.00 14.55 C ATOM 188 CD ARG A 13 10.943 -2.933 -17.153 1.00 43.32 C ATOM 189 NE ARG A 13 10.700 -3.678 -18.409 1.00 14.35 N ATOM 190 CZ ARG A 13 10.952 -4.994 -18.568 1.00 73.34 C ATOM 191 NH1 ARG A 13 11.458 -5.723 -17.551 1.00 71.42 N ATOM 192 NH2 ARG A 13 10.696 -5.558 -19.734 1.00 52.13 N ATOM 0 H ARG A 13 8.981 -0.968 -15.763 1.00 23.20 H new ATOM 0 HA ARG A 13 8.935 -2.115 -18.353 1.00 33.55 H new ATOM 0 HB2 ARG A 13 7.819 -3.234 -15.747 1.00 5.55 H new ATOM 0 HB3 ARG A 13 8.256 -4.154 -17.173 1.00 5.55 H new ATOM 0 HG2 ARG A 13 10.067 -2.758 -15.191 1.00 14.55 H new ATOM 0 HG3 ARG A 13 10.155 -4.404 -15.787 1.00 14.55 H new ATOM 0 HD2 ARG A 13 10.847 -1.862 -17.331 1.00 43.32 H new ATOM 0 HD3 ARG A 13 11.962 -3.108 -16.808 1.00 43.32 H new ATOM 0 HE ARG A 13 10.318 -3.165 -19.203 1.00 14.35 H new ATOM 0 HH11 ARG A 13 11.653 -5.280 -16.653 1.00 71.42 H new ATOM 0 HH12 ARG A 13 11.645 -6.717 -17.680 1.00 71.42 H new ATOM 0 HH21 ARG A 13 10.314 -5.000 -20.497 1.00 52.13 H new ATOM 0 HH22 ARG A 13 10.881 -6.552 -19.871 1.00 52.13 H new ATOM 205 N HIS A 14 6.100 -1.217 -16.982 1.00 24.44 N ATOM 206 CA HIS A 14 4.682 -1.015 -17.223 1.00 72.40 C ATOM 207 C HIS A 14 4.491 0.075 -18.279 1.00 2.20 C ATOM 208 O HIS A 14 3.664 -0.064 -19.178 1.00 72.14 O ATOM 209 CB HIS A 14 3.946 -0.711 -15.916 1.00 44.34 C ATOM 210 CG HIS A 14 2.768 0.220 -16.078 1.00 2.04 C ATOM 211 ND1 HIS A 14 2.709 1.520 -16.485 1.00 52.23 N flip ATOM 212 CD2 HIS A 14 1.467 -0.164 -15.804 1.00 53.32 C flip ATOM 213 CE1 HIS A 14 1.440 1.909 -16.464 1.00 64.43 C flip ATOM 214 NE2 HIS A 14 0.668 0.867 -16.041 1.00 11.23 N flip ATOM 0 H HIS A 14 6.448 -0.808 -16.115 1.00 24.44 H new ATOM 0 HA HIS A 14 4.242 -1.932 -17.614 1.00 72.40 H new ATOM 0 HB2 HIS A 14 3.599 -1.648 -15.480 1.00 44.34 H new ATOM 0 HB3 HIS A 14 4.649 -0.271 -15.209 1.00 44.34 H new ATOM 0 HD2 HIS A 14 1.156 -1.138 -15.456 1.00 53.32 H new ATOM 0 HE1 HIS A 14 1.078 2.889 -16.737 1.00 64.43 H new ATOM 0 HE2 HIS A 14 -0.346 0.879 -15.927 1.00 11.23 H new ATOM 222 N VAL A 15 5.271 1.137 -18.134 1.00 70.45 N ATOM 223 CA VAL A 15 5.199 2.251 -19.065 1.00 34.44 C ATOM 224 C VAL A 15 5.717 1.802 -20.433 1.00 35.25 C ATOM 225 O VAL A 15 5.221 2.249 -21.465 1.00 52.54 O ATOM 226 CB VAL A 15 5.960 3.452 -18.502 1.00 2.41 C ATOM 227 CG1 VAL A 15 7.404 3.472 -19.007 1.00 62.20 C ATOM 228 CG2 VAL A 15 5.244 4.762 -18.838 1.00 71.14 C ATOM 0 H VAL A 15 5.956 1.249 -17.386 1.00 70.45 H new ATOM 0 HA VAL A 15 4.166 2.571 -19.199 1.00 34.44 H new ATOM 0 HB VAL A 15 5.986 3.353 -17.417 1.00 2.41 H new ATOM 0 HG11 VAL A 15 7.923 4.336 -18.592 1.00 62.20 H new ATOM 0 HG12 VAL A 15 7.911 2.559 -18.694 1.00 62.20 H new ATOM 0 HG13 VAL A 15 7.408 3.535 -20.095 1.00 62.20 H new ATOM 0 HG21 VAL A 15 5.806 5.600 -18.426 1.00 71.14 H new ATOM 0 HG22 VAL A 15 5.172 4.870 -19.920 1.00 71.14 H new ATOM 0 HG23 VAL A 15 4.243 4.750 -18.407 1.00 71.14 H new ATOM 238 N VAL A 16 6.707 0.923 -20.395 1.00 61.33 N ATOM 239 CA VAL A 16 7.298 0.408 -21.619 1.00 54.32 C ATOM 240 C VAL A 16 6.196 -0.178 -22.505 1.00 22.15 C ATOM 241 O VAL A 16 6.178 0.051 -23.713 1.00 24.20 O ATOM 242 CB VAL A 16 8.397 -0.602 -21.285 1.00 44.44 C ATOM 243 CG1 VAL A 16 8.624 -1.570 -22.448 1.00 34.10 C ATOM 244 CG2 VAL A 16 9.697 0.109 -20.903 1.00 41.52 C ATOM 0 H VAL A 16 7.115 0.554 -19.536 1.00 61.33 H new ATOM 0 HA VAL A 16 7.774 1.212 -22.181 1.00 54.32 H new ATOM 0 HB VAL A 16 8.067 -1.184 -20.424 1.00 44.44 H new ATOM 0 HG11 VAL A 16 9.410 -2.277 -22.184 1.00 34.10 H new ATOM 0 HG12 VAL A 16 7.702 -2.113 -22.655 1.00 34.10 H new ATOM 0 HG13 VAL A 16 8.922 -1.010 -23.335 1.00 34.10 H new ATOM 0 HG21 VAL A 16 10.462 -0.632 -20.670 1.00 41.52 H new ATOM 0 HG22 VAL A 16 10.032 0.727 -21.736 1.00 41.52 H new ATOM 0 HG23 VAL A 16 9.524 0.739 -20.030 1.00 41.52 H new ATOM 254 N ASP A 17 5.304 -0.923 -21.869 1.00 20.13 N ATOM 255 CA ASP A 17 4.202 -1.544 -22.583 1.00 72.14 C ATOM 256 C ASP A 17 3.213 -0.464 -23.025 1.00 14.52 C ATOM 257 O ASP A 17 2.479 -0.647 -23.995 1.00 21.30 O ATOM 258 CB ASP A 17 3.453 -2.534 -21.689 1.00 11.55 C ATOM 259 CG ASP A 17 2.968 -3.803 -22.392 1.00 53.52 C ATOM 260 OD1 ASP A 17 3.183 -3.985 -23.600 1.00 33.34 O ATOM 261 OD2 ASP A 17 2.335 -4.636 -21.638 1.00 25.43 O ATOM 0 H ASP A 17 5.322 -1.111 -20.867 1.00 20.13 H new ATOM 0 HA ASP A 17 4.614 -2.075 -23.441 1.00 72.14 H new ATOM 0 HB2 ASP A 17 4.105 -2.821 -20.864 1.00 11.55 H new ATOM 0 HB3 ASP A 17 2.592 -2.027 -21.253 1.00 11.55 H new ATOM 267 N ALA A 18 3.224 0.640 -22.291 1.00 63.41 N ATOM 268 CA ALA A 18 2.337 1.750 -22.595 1.00 23.22 C ATOM 269 C ALA A 18 2.719 2.346 -23.951 1.00 43.00 C ATOM 270 O ALA A 18 1.855 2.796 -24.701 1.00 14.20 O ATOM 271 CB ALA A 18 2.404 2.780 -21.465 1.00 75.15 C ATOM 0 H ALA A 18 3.833 0.789 -21.487 1.00 63.41 H new ATOM 0 HA ALA A 18 1.304 1.409 -22.665 1.00 23.22 H new ATOM 0 HB1 ALA A 18 1.739 3.613 -21.692 1.00 75.15 H new ATOM 0 HB2 ALA A 18 2.095 2.314 -20.529 1.00 75.15 H new ATOM 0 HB3 ALA A 18 3.426 3.147 -21.368 1.00 75.15 H new ATOM 277 N ILE A 19 4.016 2.330 -24.225 1.00 34.33 N ATOM 278 CA ILE A 19 4.523 2.863 -25.477 1.00 53.25 C ATOM 279 C ILE A 19 3.842 2.146 -26.645 1.00 24.40 C ATOM 280 O ILE A 19 3.660 2.726 -27.714 1.00 2.31 O ATOM 281 CB ILE A 19 6.050 2.785 -25.514 1.00 3.12 C ATOM 282 CG1 ILE A 19 6.661 3.408 -24.257 1.00 22.12 C ATOM 283 CG2 ILE A 19 6.601 3.418 -26.793 1.00 4.20 C ATOM 284 CD1 ILE A 19 5.917 4.684 -23.860 1.00 53.30 C ATOM 0 H ILE A 19 4.730 1.956 -23.600 1.00 34.33 H new ATOM 0 HA ILE A 19 4.279 3.922 -25.566 1.00 53.25 H new ATOM 0 HB ILE A 19 6.338 1.734 -25.526 1.00 3.12 H new ATOM 0 HG12 ILE A 19 6.624 2.691 -23.437 1.00 22.12 H new ATOM 0 HG13 ILE A 19 7.712 3.636 -24.434 1.00 22.12 H new ATOM 0 HG21 ILE A 19 7.689 3.349 -26.794 1.00 4.20 H new ATOM 0 HG22 ILE A 19 6.203 2.891 -27.660 1.00 4.20 H new ATOM 0 HG23 ILE A 19 6.304 4.466 -26.838 1.00 4.20 H new ATOM 0 HD11 ILE A 19 6.372 5.106 -22.964 1.00 53.30 H new ATOM 0 HD12 ILE A 19 5.977 5.408 -24.673 1.00 53.30 H new ATOM 0 HD13 ILE A 19 4.872 4.448 -23.660 1.00 53.30 H new ATOM 296 N GLY A 20 3.485 0.893 -26.401 1.00 1.41 N ATOM 297 CA GLY A 20 2.829 0.090 -27.419 1.00 12.44 C ATOM 298 C GLY A 20 1.325 -0.010 -27.153 1.00 24.23 C ATOM 299 O GLY A 20 0.550 -0.314 -28.058 1.00 22.30 O ATOM 0 H GLY A 20 3.638 0.415 -25.513 1.00 1.41 H new ATOM 0 HA2 GLY A 20 3.000 0.531 -28.401 1.00 12.44 H new ATOM 0 HA3 GLY A 20 3.266 -0.908 -27.437 1.00 12.44 H new ATOM 303 N SER A 21 0.959 0.251 -25.907 1.00 15.13 N ATOM 304 CA SER A 21 -0.438 0.194 -25.510 1.00 72.11 C ATOM 305 C SER A 21 -1.198 1.384 -26.098 1.00 54.34 C ATOM 306 O SER A 21 -2.428 1.406 -26.090 1.00 72.41 O ATOM 307 CB SER A 21 -0.578 0.175 -23.987 1.00 1.33 C ATOM 308 OG SER A 21 -1.735 -0.543 -23.565 1.00 44.54 O ATOM 0 H SER A 21 1.605 0.502 -25.159 1.00 15.13 H new ATOM 0 HA SER A 21 -0.866 -0.730 -25.898 1.00 72.11 H new ATOM 0 HB2 SER A 21 0.310 -0.278 -23.547 1.00 1.33 H new ATOM 0 HB3 SER A 21 -0.631 1.198 -23.615 1.00 1.33 H new ATOM 0 HG SER A 21 -1.787 -0.533 -22.586 1.00 44.54 H new ATOM 314 N VAL A 22 -0.435 2.346 -26.595 1.00 5.20 N ATOM 315 CA VAL A 22 -1.021 3.537 -27.186 1.00 45.22 C ATOM 316 C VAL A 22 -1.920 3.131 -28.356 1.00 4.23 C ATOM 317 O VAL A 22 -2.935 3.775 -28.615 1.00 41.15 O ATOM 318 CB VAL A 22 0.082 4.517 -27.592 1.00 24.10 C ATOM 319 CG1 VAL A 22 -0.500 5.722 -28.333 1.00 13.23 C ATOM 320 CG2 VAL A 22 0.896 4.962 -26.375 1.00 35.13 C ATOM 0 H VAL A 22 0.585 2.325 -26.601 1.00 5.20 H new ATOM 0 HA VAL A 22 -1.647 4.055 -26.459 1.00 45.22 H new ATOM 0 HB VAL A 22 0.756 3.998 -28.274 1.00 24.10 H new ATOM 0 HG11 VAL A 22 0.305 6.402 -28.610 1.00 13.23 H new ATOM 0 HG12 VAL A 22 -1.014 5.383 -29.232 1.00 13.23 H new ATOM 0 HG13 VAL A 22 -1.207 6.241 -27.685 1.00 13.23 H new ATOM 0 HG21 VAL A 22 1.673 5.658 -26.692 1.00 35.13 H new ATOM 0 HG22 VAL A 22 0.239 5.454 -25.658 1.00 35.13 H new ATOM 0 HG23 VAL A 22 1.357 4.092 -25.908 1.00 35.13 H new ATOM 330 N ALA A 23 -1.514 2.065 -29.030 1.00 42.41 N ATOM 331 CA ALA A 23 -2.270 1.566 -30.166 1.00 20.11 C ATOM 332 C ALA A 23 -3.549 0.892 -29.665 1.00 11.20 C ATOM 333 O ALA A 23 -4.486 0.682 -30.434 1.00 21.53 O ATOM 334 CB ALA A 23 -1.393 0.617 -30.985 1.00 75.42 C ATOM 0 H ALA A 23 -0.672 1.533 -28.811 1.00 42.41 H new ATOM 0 HA ALA A 23 -2.564 2.385 -30.822 1.00 20.11 H new ATOM 0 HB1 ALA A 23 -1.960 0.242 -31.837 1.00 75.42 H new ATOM 0 HB2 ALA A 23 -0.513 1.152 -31.341 1.00 75.42 H new ATOM 0 HB3 ALA A 23 -1.081 -0.220 -30.361 1.00 75.42 H new ATOM 340 N GLY A 24 -3.547 0.573 -28.379 1.00 71.11 N ATOM 341 CA GLY A 24 -4.696 -0.073 -27.766 1.00 43.45 C ATOM 342 C GLY A 24 -5.347 0.840 -26.725 1.00 61.02 C ATOM 343 O GLY A 24 -6.110 0.377 -25.879 1.00 23.42 O ATOM 0 H GLY A 24 -2.768 0.750 -27.744 1.00 71.11 H new ATOM 0 HA2 GLY A 24 -5.425 -0.332 -28.534 1.00 43.45 H new ATOM 0 HA3 GLY A 24 -4.385 -1.005 -27.294 1.00 43.45 H new ATOM 347 N ILE A 25 -5.022 2.121 -26.822 1.00 21.23 N ATOM 348 CA ILE A 25 -5.566 3.102 -25.899 1.00 4.53 C ATOM 349 C ILE A 25 -5.808 4.417 -26.643 1.00 62.13 C ATOM 350 O ILE A 25 -6.930 4.918 -26.676 1.00 15.43 O ATOM 351 CB ILE A 25 -4.659 3.247 -24.675 1.00 2.02 C ATOM 352 CG1 ILE A 25 -4.899 2.112 -23.677 1.00 53.22 C ATOM 353 CG2 ILE A 25 -4.826 4.624 -24.028 1.00 63.43 C ATOM 354 CD1 ILE A 25 -3.658 1.228 -23.543 1.00 30.20 C ATOM 0 H ILE A 25 -4.389 2.502 -27.525 1.00 21.23 H new ATOM 0 HA ILE A 25 -6.531 2.770 -25.515 1.00 4.53 H new ATOM 0 HB ILE A 25 -3.623 3.171 -25.007 1.00 2.02 H new ATOM 0 HG12 ILE A 25 -5.160 2.528 -22.704 1.00 53.22 H new ATOM 0 HG13 ILE A 25 -5.746 1.509 -24.004 1.00 53.22 H new ATOM 0 HG21 ILE A 25 -4.170 4.700 -23.161 1.00 63.43 H new ATOM 0 HG22 ILE A 25 -4.566 5.399 -24.749 1.00 63.43 H new ATOM 0 HG23 ILE A 25 -5.861 4.755 -23.713 1.00 63.43 H new ATOM 0 HD11 ILE A 25 -3.856 0.429 -22.828 1.00 30.20 H new ATOM 0 HD12 ILE A 25 -3.414 0.794 -24.513 1.00 30.20 H new ATOM 0 HD13 ILE A 25 -2.819 1.829 -23.193 1.00 30.20 H new ATOM 366 N ARG A 26 -4.736 4.937 -27.223 1.00 54.53 N ATOM 367 CA ARG A 26 -4.818 6.184 -27.966 1.00 34.05 C ATOM 368 C ARG A 26 -5.594 5.976 -29.268 1.00 43.21 C ATOM 369 O ARG A 26 -6.375 6.836 -29.674 1.00 22.45 O ATOM 370 CB ARG A 26 -3.424 6.724 -28.291 1.00 13.15 C ATOM 371 CG ARG A 26 -3.403 8.253 -28.239 1.00 50.21 C ATOM 372 CD ARG A 26 -3.878 8.763 -26.877 1.00 22.43 C ATOM 373 NE ARG A 26 -2.981 9.838 -26.398 1.00 22.12 N ATOM 374 CZ ARG A 26 -3.251 10.635 -25.343 1.00 14.34 C ATOM 375 NH1 ARG A 26 -4.398 10.485 -24.646 1.00 61.50 N ATOM 376 NH2 ARG A 26 -2.378 11.565 -25.002 1.00 70.22 N ATOM 0 H ARG A 26 -3.806 4.518 -27.194 1.00 54.53 H new ATOM 0 HA ARG A 26 -5.339 6.909 -27.341 1.00 34.05 H new ATOM 0 HB2 ARG A 26 -2.700 6.322 -27.582 1.00 13.15 H new ATOM 0 HB3 ARG A 26 -3.121 6.386 -29.282 1.00 13.15 H new ATOM 0 HG2 ARG A 26 -2.393 8.613 -28.434 1.00 50.21 H new ATOM 0 HG3 ARG A 26 -4.042 8.656 -29.025 1.00 50.21 H new ATOM 0 HD2 ARG A 26 -4.899 9.138 -26.956 1.00 22.43 H new ATOM 0 HD3 ARG A 26 -3.894 7.944 -26.158 1.00 22.43 H new ATOM 0 HE ARG A 26 -2.104 9.986 -26.897 1.00 22.12 H new ATOM 0 HH11 ARG A 26 -5.068 9.765 -24.916 1.00 61.50 H new ATOM 0 HH12 ARG A 26 -4.594 11.092 -23.850 1.00 61.50 H new ATOM 0 HH21 ARG A 26 -1.514 11.673 -25.534 1.00 70.22 H new ATOM 0 HH22 ARG A 26 -2.567 12.175 -24.207 1.00 70.22 H new ATOM 389 N GLY A 27 -5.351 4.830 -29.888 1.00 0.55 N ATOM 390 CA GLY A 27 -6.017 4.499 -31.136 1.00 23.12 C ATOM 391 C GLY A 27 -7.510 4.251 -30.912 1.00 22.41 C ATOM 392 O GLY A 27 -8.342 4.692 -31.703 1.00 43.11 O ATOM 0 H GLY A 27 -4.702 4.120 -29.549 1.00 0.55 H new ATOM 0 HA2 GLY A 27 -5.883 5.311 -31.850 1.00 23.12 H new ATOM 0 HA3 GLY A 27 -5.559 3.612 -31.573 1.00 23.12 H new ATOM 396 N ILE A 28 -7.804 3.545 -29.830 1.00 21.21 N ATOM 397 CA ILE A 28 -9.182 3.233 -29.492 1.00 32.51 C ATOM 398 C ILE A 28 -9.842 4.465 -28.869 1.00 23.51 C ATOM 399 O ILE A 28 -11.067 4.545 -28.791 1.00 24.44 O ATOM 400 CB ILE A 28 -9.248 1.986 -28.607 1.00 4.22 C ATOM 401 CG1 ILE A 28 -9.055 2.350 -27.133 1.00 71.40 C ATOM 402 CG2 ILE A 28 -8.244 0.930 -29.072 1.00 64.25 C ATOM 403 CD1 ILE A 28 -10.403 2.515 -26.429 1.00 32.15 C ATOM 0 H ILE A 28 -7.111 3.180 -29.176 1.00 21.21 H new ATOM 0 HA ILE A 28 -9.748 2.988 -30.391 1.00 32.51 H new ATOM 0 HB ILE A 28 -10.242 1.550 -28.704 1.00 4.22 H new ATOM 0 HG12 ILE A 28 -8.474 1.574 -26.636 1.00 71.40 H new ATOM 0 HG13 ILE A 28 -8.484 3.275 -27.055 1.00 71.40 H new ATOM 0 HG21 ILE A 28 -8.312 0.054 -28.426 1.00 64.25 H new ATOM 0 HG22 ILE A 28 -8.469 0.642 -30.099 1.00 64.25 H new ATOM 0 HG23 ILE A 28 -7.235 1.340 -29.023 1.00 64.25 H new ATOM 0 HD11 ILE A 28 -10.238 2.773 -25.383 1.00 32.15 H new ATOM 0 HD12 ILE A 28 -10.972 3.309 -26.914 1.00 32.15 H new ATOM 0 HD13 ILE A 28 -10.961 1.581 -26.488 1.00 32.15 H new ATOM 415 N LEU A 29 -9.000 5.394 -28.442 1.00 10.35 N ATOM 416 CA LEU A 29 -9.486 6.619 -27.828 1.00 21.51 C ATOM 417 C LEU A 29 -10.364 7.372 -28.829 1.00 32.12 C ATOM 418 O LEU A 29 -11.304 8.063 -28.438 1.00 44.44 O ATOM 419 CB LEU A 29 -8.318 7.447 -27.288 1.00 55.45 C ATOM 420 CG LEU A 29 -8.395 8.955 -27.538 1.00 4.02 C ATOM 421 CD1 LEU A 29 -8.214 9.275 -29.023 1.00 73.10 C ATOM 422 CD2 LEU A 29 -9.694 9.538 -26.980 1.00 13.14 C ATOM 0 H LEU A 29 -7.985 5.324 -28.509 1.00 10.35 H new ATOM 0 HA LEU A 29 -10.111 6.391 -26.964 1.00 21.51 H new ATOM 0 HB2 LEU A 29 -8.246 7.280 -26.213 1.00 55.45 H new ATOM 0 HB3 LEU A 29 -7.396 7.071 -27.732 1.00 55.45 H new ATOM 0 HG LEU A 29 -7.573 9.432 -27.004 1.00 4.02 H new ATOM 0 HD11 LEU A 29 -8.273 10.353 -29.173 1.00 73.10 H new ATOM 0 HD12 LEU A 29 -7.241 8.915 -29.357 1.00 73.10 H new ATOM 0 HD13 LEU A 29 -8.999 8.785 -29.599 1.00 73.10 H new ATOM 0 HD21 LEU A 29 -9.723 10.611 -27.171 1.00 13.14 H new ATOM 0 HD22 LEU A 29 -10.545 9.060 -27.465 1.00 13.14 H new ATOM 0 HD23 LEU A 29 -9.741 9.359 -25.906 1.00 13.14 H new ATOM 434 N LYS A 30 -10.027 7.212 -30.100 1.00 55.33 N ATOM 435 CA LYS A 30 -10.774 7.869 -31.160 1.00 62.22 C ATOM 436 C LYS A 30 -12.196 7.307 -31.199 1.00 54.25 C ATOM 437 O LYS A 30 -13.069 7.862 -31.866 1.00 45.31 O ATOM 438 CB LYS A 30 -10.029 7.751 -32.492 1.00 12.44 C ATOM 439 CG LYS A 30 -10.052 6.311 -33.008 1.00 15.13 C ATOM 440 CD LYS A 30 -11.120 6.133 -34.089 1.00 14.32 C ATOM 441 CE LYS A 30 -10.485 6.049 -35.478 1.00 53.12 C ATOM 442 NZ LYS A 30 -11.370 6.668 -36.491 1.00 31.53 N ATOM 0 H LYS A 30 -9.247 6.637 -30.420 1.00 55.33 H new ATOM 0 HA LYS A 30 -10.858 8.937 -30.962 1.00 62.22 H new ATOM 0 HB2 LYS A 30 -10.486 8.412 -33.228 1.00 12.44 H new ATOM 0 HB3 LYS A 30 -8.997 8.079 -32.366 1.00 12.44 H new ATOM 0 HG2 LYS A 30 -9.074 6.050 -33.412 1.00 15.13 H new ATOM 0 HG3 LYS A 30 -10.248 5.628 -32.182 1.00 15.13 H new ATOM 0 HD2 LYS A 30 -11.694 5.228 -33.892 1.00 14.32 H new ATOM 0 HD3 LYS A 30 -11.820 6.968 -34.055 1.00 14.32 H new ATOM 0 HE2 LYS A 30 -9.519 6.553 -35.474 1.00 53.12 H new ATOM 0 HE3 LYS A 30 -10.299 5.007 -35.737 1.00 53.12 H new ATOM 0 HZ1 LYS A 30 -10.924 6.602 -37.428 1.00 31.53 H new ATOM 0 HZ2 LYS A 30 -12.282 6.169 -36.506 1.00 31.53 H new ATOM 0 HZ3 LYS A 30 -11.526 7.668 -36.251 1.00 31.53 H new ATOM 455 N SER A 31 -12.387 6.213 -30.477 1.00 3.22 N ATOM 456 CA SER A 31 -13.689 5.570 -30.421 1.00 4.43 C ATOM 457 C SER A 31 -14.421 5.982 -29.142 1.00 23.23 C ATOM 458 O SER A 31 -15.613 5.718 -28.992 1.00 63.21 O ATOM 459 CB SER A 31 -13.555 4.048 -30.489 1.00 65.11 C ATOM 460 OG SER A 31 -14.190 3.507 -31.645 1.00 4.44 O ATOM 0 H SER A 31 -11.661 5.755 -29.925 1.00 3.22 H new ATOM 0 HA SER A 31 -14.269 5.895 -31.285 1.00 4.43 H new ATOM 0 HB2 SER A 31 -12.499 3.777 -30.495 1.00 65.11 H new ATOM 0 HB3 SER A 31 -13.993 3.605 -29.594 1.00 65.11 H new ATOM 0 HG SER A 31 -14.081 2.533 -31.653 1.00 4.44 H new ATOM 466 N ILE A 32 -13.676 6.622 -28.252 1.00 34.22 N ATOM 467 CA ILE A 32 -14.240 7.072 -26.990 1.00 44.44 C ATOM 468 C ILE A 32 -14.571 8.563 -27.088 1.00 63.12 C ATOM 469 O ILE A 32 -15.604 9.007 -26.589 1.00 64.02 O ATOM 470 CB ILE A 32 -13.303 6.725 -25.831 1.00 54.12 C ATOM 471 CG1 ILE A 32 -12.484 5.471 -26.145 1.00 13.44 C ATOM 472 CG2 ILE A 32 -14.081 6.589 -24.520 1.00 61.15 C ATOM 473 CD1 ILE A 32 -13.383 4.236 -26.228 1.00 21.10 C ATOM 0 H ILE A 32 -12.688 6.839 -28.380 1.00 34.22 H new ATOM 0 HA ILE A 32 -15.174 6.550 -26.782 1.00 44.44 H new ATOM 0 HB ILE A 32 -12.598 7.546 -25.703 1.00 54.12 H new ATOM 0 HG12 ILE A 32 -11.955 5.604 -27.089 1.00 13.44 H new ATOM 0 HG13 ILE A 32 -11.728 5.324 -25.374 1.00 13.44 H new ATOM 0 HG21 ILE A 32 -13.392 6.342 -23.712 1.00 61.15 H new ATOM 0 HG22 ILE A 32 -14.582 7.531 -24.295 1.00 61.15 H new ATOM 0 HG23 ILE A 32 -14.824 5.797 -24.618 1.00 61.15 H new ATOM 0 HD11 ILE A 32 -12.776 3.359 -26.452 1.00 21.10 H new ATOM 0 HD12 ILE A 32 -13.892 4.092 -25.275 1.00 21.10 H new ATOM 0 HD13 ILE A 32 -14.123 4.377 -27.016 1.00 21.10 H new ATOM 485 N ARG A 33 -13.675 9.294 -27.735 1.00 2.35 N ATOM 486 CA ARG A 33 -13.859 10.726 -27.904 1.00 61.41 C ATOM 487 C ARG A 33 -13.826 11.430 -26.546 1.00 71.41 C ATOM 488 O ARG A 33 -13.675 12.648 -26.478 1.00 51.42 O ATOM 489 CB ARG A 33 -15.188 11.032 -28.598 1.00 21.44 C ATOM 490 CG ARG A 33 -15.007 11.120 -30.114 1.00 52.24 C ATOM 491 CD ARG A 33 -16.357 11.271 -30.819 1.00 43.34 C ATOM 492 NE ARG A 33 -16.248 10.817 -32.224 1.00 3.33 N ATOM 493 CZ ARG A 33 -17.054 11.240 -33.221 1.00 2.24 C ATOM 494 NH1 ARG A 33 -18.037 12.133 -32.975 1.00 63.52 N ATOM 495 NH2 ARG A 33 -16.867 10.768 -34.439 1.00 44.10 N ATOM 0 H ARG A 33 -12.820 8.922 -28.148 1.00 2.35 H new ATOM 0 HA ARG A 33 -13.044 11.094 -28.527 1.00 61.41 H new ATOM 0 HB2 ARG A 33 -15.914 10.255 -28.359 1.00 21.44 H new ATOM 0 HB3 ARG A 33 -15.591 11.972 -28.221 1.00 21.44 H new ATOM 0 HG2 ARG A 33 -14.368 11.968 -30.359 1.00 52.24 H new ATOM 0 HG3 ARG A 33 -14.502 10.225 -30.476 1.00 52.24 H new ATOM 0 HD2 ARG A 33 -17.116 10.688 -30.298 1.00 43.34 H new ATOM 0 HD3 ARG A 33 -16.678 12.312 -30.788 1.00 43.34 H new ATOM 0 HE ARG A 33 -15.518 10.142 -32.453 1.00 3.33 H new ATOM 0 HH11 ARG A 33 -18.175 12.493 -32.031 1.00 63.52 H new ATOM 0 HH12 ARG A 33 -18.642 12.448 -33.734 1.00 63.52 H new ATOM 0 HH21 ARG A 33 -16.122 10.094 -34.616 1.00 44.10 H new ATOM 0 HH22 ARG A 33 -17.467 11.077 -35.204 1.00 44.10 H new TER 508 ARG A 33